methyl 4-[[[1-[4-[bis(azanyl)methylideneamino]phenyl]carbonylpyrrolidin-3-yl]-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[[1-[4-[bis(azanyl)methylideneamino]phenyl]carbonylpyrrolidin-3-yl]-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-amino]methyl]benzoate Openeye Name: methyl 4-[[[(E)-2-(4-chlorophenyl)vinyl]sulfonyl-[1-(4-guanidinobenzoyl)pyrrolidin-3-yl]amino]methyl]benzoate CAS Name: 4-[[[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-[1-[[4-(diaminomethylideneamino)phenyl]-oxomethyl]-3-pyrrolidinyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-[1-[4-(diaminomethylideneamino)benzoyl]pyrrolidin-3-yl]amino]methyl]benzoate Traditional Name: 4-[[[(E)-2-(4-chlorophenyl)vinyl]sulfonyl-[1-(4-guanidinobenzoyl)pyrrolidin-3-yl]amino]methyl]benzoic acid methyl ester Formula: C29H30ClN5O5S MolecularWeight: 596.097

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN(C2CCN(C2)C(=O)C3=CC=C(C=C3)N=C(N)N)S(=O)(=O)C=CC4=CC=C(C=C4)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN(C2CCN(C2)C(=O)C3=CC=C(C=C3)N=C(N)N)S(=O)(=O)/C=C/C4=CC=C(C=C4)Cl

InChI

InChI=1S/C29H30ClN5O5S/c1-40-28(37)23-6-2-21(3-7-23)18-35(41(38,39)17-15-20-4-10-24(30)11-5-20)26-14-16-34(19-26)27(36)22-8-12-25(13-9-22)33-29(31)32/h2-13,15,17,26H,14,16,18-19H2,1H3,(H4,31,32,33)/b17-15+